1-tert-butyl-5,5-dimethylbenzo[b][1]benzosilole

C18H22Si — CID 168834764

IUPAC1-tert-butyl-5,5-dimethylbenzo[b][1]benzosilole
SMILESCC(C)(C)c1cccc2c1-c1ccccc1[Si]2(C)C
InChIInChI=1S/C18H22Si/c1-18(2,3)14-10-8-12-16-17(14)13-9-6-7-11-15(13)19(16,4)5/h6-12H,1-5H3
InChIKeyBZGROUPRDWDUMN-UHFFFAOYSA-N
MW266.46 g/mol
LogP3.79
Rot. Bonds

About 1-tert-butyl-5,5-dimethylbenzo[b][1]benzosilole

1-tert-butyl-5,5-dimethylbenzo[b][1]benzosilole (PubChem CID 168834764) has the molecular formula C18H22Si and a molecular weight of 266.46 g/mol. Its IUPAC name is 1-tert-butyl-5,5-dimethylbenzo[b][1]benzosilole.

Molecular Properties

Compound Name1-tert-butyl-5,5-dimethylbenzo[b][1]benzosilole
PubChem CID168834764
Molecular FormulaC18H22Si
Molecular Weight266.46 g/mol
Exact Mass266.15
IUPAC Name1-tert-butyl-5,5-dimethylbenzo[b][1]benzosilole
SMILESCC(C)(C)c1cccc2c1-c1ccccc1[Si]2(C)C
InChIInChI=1S/C18H22Si/c1-18(2,3)14-10-8-12-16-17(14)13-9-6-7-11-15(13)19(16,4)5/h6-12H,1-5H3
InChIKeyBZGROUPRDWDUMN-UHFFFAOYSA-N
XLogP3.79
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.46
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-5,5-dimethylbenzo[b][1]benzosilole?
The IUPAC name of 1-tert-butyl-5,5-dimethylbenzo[b][1]benzosilole (CID 168834764) is 1-tert-butyl-5,5-dimethylbenzo[b][1]benzosilole.
What is the SMILES notation for 1-tert-butyl-5,5-dimethylbenzo[b][1]benzosilole?
The canonical SMILES for 1-tert-butyl-5,5-dimethylbenzo[b][1]benzosilole is CC(C)(C)c1cccc2c1-c1ccccc1[Si]2(C)C.
What is the InChIKey of 1-tert-butyl-5,5-dimethylbenzo[b][1]benzosilole?
The InChIKey is BZGROUPRDWDUMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22Si/c1-18(2,3)14-10-8-12-16-17(14)13-9-6-7-11-15(13)19(16,4)5/h6-12H,1-5H3.
What are the key properties of 1-tert-butyl-5,5-dimethylbenzo[b][1]benzosilole?
1-tert-butyl-5,5-dimethylbenzo[b][1]benzosilole has a molecular weight of 266.46 g/mol, XLogP of 3.79, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-5,5-dimethylbenzo[b][1]benzosilole is sourced from PubChem (CID 168834764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).